2-Chloro-4,6-dimethoxypyrimidine

Base Information

• Chemical Name: 2-Chloro-4,6-dimethoxypyrimidine
• CAS No.: 13223-25-1
• Molecular Formula: C6H7ClN2O2
• Molecular Weight: 174.587
• Hs Code.: 29335990
• ChEMBL ID: CHEMBL5193473
• DSSTox Substance ID: DTXSID20408903
• Nikkaji Number: J1.038.973I
• Wikidata: Q72518627
• Mol file: 13223-25-1.mol

Synonyms:2-Chloro-4,6-dimethoxypyrimidine;13223-25-1;2-chloro-4,6-dimethoxy-pyrimidine;Pyrimidine, 2-chloro-4,6-dimethoxy-;MFCD00274530;chloro-4,6-dimethoxypyrimidine;SCHEMBL150750;2-chloro4,6-dimethoxypyrimdine;CHEMBL5193473;2-chloro-4,6-dimethoxypyrimdine;2-chloro-4,6-dimethoxypyrimidin;PBEKEFWBLFBSGQ-UHFFFAOYSA-;DTXSID20408903;PBEKEFWBLFBSGQ-UHFFFAOYSA-N;AKOS005255432;AC-6768;CS-W017478;SB57232;AS-12972;SY020517;AM20080234;FT-0636845;EN300-82936;2-Chloro-4,6-dimethoxypyrimidine, >=98.0%;A806401;F0001-0437;InChI=1/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3

Chemical Property of 2-Chloro-4,6-dimethoxypyrimidine

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 100-105 °C
• Boiling Point: 317.1 °C at 760 mmHg
• PKA: -1.46±0.30(Predicted)
• Flash Point: 145.6 °C
• PSA: 44.24000
• Density: 1.285 g/cm³
• LogP: 1.14720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.0196052
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4,6-dimethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)Cl)OC
• Uses: 2-Chloro-4,6-dimethoxypyrimidine is used as building block in chemical synthesis. Product Data Sheet 2-Chloro-4,6-dimethoxypyrimidine is a useful reactant for the synthesis of polycyclic fused and spiro-?4-?aminopyridines

Technology Process of 2-Chloro-4,6-dimethoxypyrimidine

There total 4 articles about 2-Chloro-4,6-dimethoxypyrimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.1%

methyl 3-amino-3-methoxy-N-nitrile-2-propionamidine (77087-96-8) → 2-chloro-4,6-dimethoxypyrimidine (13223-25-1)

Guidance literature:

With hydrogenchloride; In methanol; at 5 ℃; for 2h; Temperature;

Reference yield: 57.0%

→ 2-chloro-4,6-dimethylpyrimidine (4472-44-0) + 2-chloro-4,6-dimethoxypyrimidine (13223-25-1)

Guidance literature:

Reference yield: 29.9%

4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) → 2-chloro-4,6-dimethoxypyrimidine (13223-25-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; ethyl acetate;

upstream raw materials:

4,6-dimethoxy-2-aminopyrimidine

methyl 3-amino-3-methoxy-N-nitrile-2-propionamidine

Downstream raw materials:

2-(4,6-dimethoxypyrimidin-2-yloxy)benzaldehyde di-n-octylacetal

4,6-dimethoxy-N-phenylpyrimidin-2-ylamine

2-vinyl-4,6-dimethoxypyrimidine

2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methyl-N-phenyl-butyl amide

Refernces

• 1、 -. "Synthesis method of 2-chloro-4,6-dimethoxypyrimidine". Paragraph 0014; 0020; 0025; 0026; 0027; 0028; 0033; 0034. . Retrieved 2018/03/23.
• 2、 -. "Process for the production of 2-halo-4,6-dialkoxy pyrimidines". . . Retrieved 2008/06/13.